3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one

Basic Information

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CAS Number

610-88-8

Molecular Formula

C10H15NO3

Molecular Weight

197.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

74.5°C

Boiling Point

bp0.035 117°

Density

1.1575 (rough estimate)

Flash Point

196.359°C

Refractive Index

1.5480 (estimate)

Specific Rotation

20D -128° (c = 1.0 in methanol); -132 ± 2° (c = 0.5 in CHCl3)

SMILES

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CCC(C1NC(=O)C(=C1O)C(=O)C)C

InChI

InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)

InChIKey

CEIZFXOZIQNICU-UHFFFAOYSA-N

LogP

0.9319999999999997

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

307

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

2H-Pyrrol-2-one,3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, (5S)-
Tenuazonic acid
Tenuazonic acid - (Copper salt)
4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
(5S)-3-Acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-2H-pyrrol-2-one
(S)-3-Acetyl-5-(S)-sec-butyltetramic acid
(S)-3-Acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one

MDL Number

MFCD00055596

Customs Code

2933990090

FAQ

What is 3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8)?

3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one is a chemical compound with the CAS number 610-88-8. It is a heterocyclic compound with a pyrrolone structure, featuring a five-membered ring containing a nitrogen atom. This compound has potential applications in pharmaceuticals and agrochemicals due to its structural properties.

What are the main uses of 3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8)?

3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8) is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It also finds application in agrochemicals and as a research compound with potential for use in various chemical research areas.

Is 3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8) safe?

3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8) is generally considered safe for laboratory use when handled with proper precautions. However, it should be stored away from direct sunlight and in a cool, dry place to prevent degradation. It is important to follow all safety guidelines and use appropriate personal protective equipment (PPE) when working with this compound.

How should 3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8) be stored?

3-Acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS: 610-88-8) should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to air and moisture. The container should be stored in a well-ventilated area and away from flammable materials.